Compound Detail
CHEMBL1778130
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Basic Information
| ChEMBL ID | CHEMBL1778130 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKNGNQGKYUBBKL-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
187.6
MW (Da)
1.51
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 3.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 3.17 | 3.145 | 680000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 680000.0 | nM | 3.17 | Un-competitive inhibition of metallo-beta-lactamase IMP-1 expressed in Escherich... | 21536436 |
| Unchecked | Ki | = | 760000.0 | nM | 3.12 | Competitive inhibition of metallo-beta-lactamase IMP-1 expressed in Escherichia ... | 21536436 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21536436 | 10.1016/j.bmcl.2011.04.027 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine